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Formula of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one (C21H12Cl2N2O3)

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2D chemical structure image of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one
Chemical Formula C21H12Cl2N2O3
Molecular Weight 411.23758 g/mol
IUPAC Name 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one
SMILES String [O-][N+](=O)c3ccc2NC(C=C(c1ccccc1)c2c3)=C4C=C(Cl)C=C(Cl)C4=O
InChI InChI=1S/C21H12Cl2N2O3/c22-13-8-17(21(26)18(23)9-13)20-11-15(12-4-2-1-3-5-12)16-10-14(25(27)28)6-7-19(16)24-20/h1-11,24H
InChIKey RMMQYHNXBLJFOF-UHFFFAOYSA-N
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Chemical Formula Description

The 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one molecule contains a total of 40 atom(s). There are 12 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s). A chemical formula of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one can therefore be written as:

C21H12Cl2N2O3

The chemical formula of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one
Ball-and-stick model of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one

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  • CAS #: 64-17-5
  • Formula: C2H5OH
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Additional Information for Identifying 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one Molecule

  • InChI (IUPAC International Chemical Identifier) information of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one is:

    InChI=1S/C21H12Cl2N2O3/c22-13-8-17(21(26)18(23)9-13)20-11-15(12-4-2-1-3-5-12)16-10-14(25(27)28)6-7-19(16)24-20/h1-11,24H

    It can provide a standard way to encode the molecular information of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one is:

    InChIKey=RMMQYHNXBLJFOF-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one, but it needs to be linked to the full InChI to get back to the original structure of the 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one

    The 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one including the registry numbers is given below, if available:

    • 2,4-dichloro-6-(6-nitro-4-phenyl-1H-quinolin-2-ylidene)cyclohexa-2,4-dien-1-one

2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one?
C21H12Cl2N2O3
How many atoms and what are they in the 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one structure?
40 atom(s) - 12 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what are they in the 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one structure?
43 bond(s) - 31 non-H bond(s), 19 multiple bond(s), 2 rotatable bond(s), 7 double bond(s), 12 aromatic bond(s), 4 six-membered ring(s), 1 ten-membered ring(s), 1 ketone(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 nitro group(s) (aromatic)
What’s the molecular weight of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one?
411.23758 g/mol
What’s the SMILES string of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one?
[O-][N+](=O)c3ccc2NC(C=C(c1ccccc1)c2c3)=C4C=C(Cl)C=C(Cl)C4=O
What’s the InChI of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one?
InChI=1S/C21H12Cl2N2O3/c22-13-8-17(21(26)18(23)9-13)20-11-15(12-4-2-1-3-5-12)16-10-14(25(27)28)6-7-19(16)24-20/h1-11,24H
What’s the InChIKey of 2,4-dichloro-6-(6-nitro-4-phenyl-1,2-dihydroquinolin-2-ylidene)cyclohexa-2,4-dien-1-one?
RMMQYHNXBLJFOF-UHFFFAOYSA-N